1-(1,1-difluoroethyl)-4-phenylbenzene

• ChemBase ID: 66066
• Molecular Formular: C14H12F2
• Molecular Mass: 218.2418864
• Monoisotopic Mass: 218.09070682
• SMILES: c1(ccc(cc1)C(C)(F)F)c1ccccc1
• Canonical SMILES: CC(c1ccc(cc1)c1ccccc1)(F)F
• InChI: InChI=1S/C14H12F2/c1-14(15,16)13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3
• InChIKey: GZTDCDZPTUSABU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1,1-difluoroethyl)-4-phenylbenzene
• IUPAC Traditional name: 1-(1,1-difluoroethyl)-4-phenylbenzene
• Synonyms: 4-(1,1-Difluoroethyl)biphenyl

Database IDs

• MDL Number: MFCD16140159
• PubChem SID: 162031805
• PubChem CID: 53435195

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.257622
• LogD (pH = 7.4): 4.257622
• Log P: 4.257622
• Molar Refractivity: 61.3 cm^3
• Polarizability: 24.308138 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%